N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide

C7H12N4OS — CID 79515533

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nnc(N)s1
InChIInChI=1S/C7H12N4OS/c1-3-4(2)5(12)9-7-11-10-6(8)13-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,11,12)
InChIKeyFUMMXJHZKMUXIK-UHFFFAOYSA-N
MW200.27 g/mol
LogP1.10
Rot. Bonds3

About N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (PubChem CID 79515533) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
PubChem CID79515533
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nnc(N)s1
InChIInChI=1S/C7H12N4OS/c1-3-4(2)5(12)9-7-11-10-6(8)13-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,11,12)
InChIKeyFUMMXJHZKMUXIK-UHFFFAOYSA-N
XLogP1.10
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 42936586
2-methyl-N-[5-[2-[2-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982466
(2S)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 7263166
2-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 4161855
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-(3-methylphenoxy)butanamide
CID 20778440
N-(5-amino-1,3,4-thiadiazol-2-yl)heptanamide
CID 114754330
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
N-[5-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220441
(2S)-2-amino-3-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 119266054

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide (CID 79515533) is N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is CCC(C)C(=O)Nc1nnc(N)s1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
The InChIKey is FUMMXJHZKMUXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4OS/c1-3-4(2)5(12)9-7-11-10-6(8)13-7/h4H,3H2,1-2H3,(H2,8,10)(H,9,11,12).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide has a molecular weight of 200.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-2-methylbutanamide is sourced from PubChem (CID 79515533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).